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CHEMSTAR-ZINC04016740

 MMsINC code: MMs01087693
Type: Neutral
Formula: C10H10N6O2
SMILES:   O=[N+]([O-])c1ccc(N=Nc2c(n[nH]c2N)C)cc1
InChI:   InChI=1/C10H10N6O2/c1-6-9(10(11)15-12-6)14-13-7-2-4-8(5-3-7)16(17)18/h2-5H,1H3,(H3,11,12,15)/b14-13+

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Potential Energy
Epot(MMFF94)=82.6075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.23 g/mol  logS: -2.84948  SlogP: 2.62392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00489597  Sterimol/B1: 1.969  Sterimol/B2: 2.09804  Sterimol/B3: 2.51184
  Sterimol/B4: 7.05216  Sterimol/L: 14.444 
 
 Surface and Volume Properties
  Accessible surface: 445.519  Positive charged surface: 223.815  Negative charged surface: 221.704  Volume: 213.375
  Hydrophobic surface: 261.24  Hydrophilic surface: 184.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.